SCHEMBL7080129

SCHEMBL7080129

N#Cc1ccc(Cn2cncc2CCN(c2ccc(OC(F)(F)F)cc2)C(C(N)=S)c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.45
FNTB P49356 8/20 0.45
PGGT1B P53609 8/20 0.45
CYP11B1 P15538 5/20 0.41
CYP11B2 P19099 5/20 0.41
KCNH2 Q12809 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7081576 0.89 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7080214 0.88 CYP11B1 (0.43) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7081094 0.82 CYP11B1 (0.40) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7077067 0.77 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7084215 0.73 CYP11B1 (0.41) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7085597 0.73 CYP11B1 (0.45) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083380 0.73 CYP11B1 (0.43) FNTAFNTBCYP11B1CYP11B2
SCHEMBL7083504 0.72 CYP11B1 (0.42) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7083074 0.69 CYP11B1 (0.44) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7081717 0.69 CYP11B1 (0.46) FNTAFNTBPGGT1BCYP11B1CYP11B2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200430-A4 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORP LTD (KR) 2003-01-22 EP disclosed
EP-1200430-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION, LTD. (KR) 2002-05-02 EP disclosed
WO-2001009128-A1 THIOUREA AND ISOTHIOUREA DERIVATIVES FOR INHIBITING RAS-TRANSFORMED CELL GROWTH YUHAN CORPORATION (KR) 2001-02-08 WO disclosed